2-(2-Nitroethyl)Benzoic Acid
[CAS# 115912-92-0]

Identification

• Name: 2-(2-Nitroethyl)Benzoic Acid
• Synonyms: 1-(2-Carboxyphenyl)-2-nitroethane; 2-(2-Nitroethyl)benzoic acid
• Molecular Formula: C₉H₉NO₄
• Molecular Weight: 195.17
• CAS Registry Number: 115912-92-0
• SMILES: c1ccc(c(c1)CC[N+](=O)[O-])C(=O)O
• InChI: 1S/C9H9NO4/c11-9(12)8-4-2-1-3-7(8)5-6-10(13)14/h1-4H,5-6H2,(H,11,12)
• InChIKey: YDKWDBCIPCCQBA-UHFFFAOYSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 383.897°C at 760 mmHg (Cal.)
• Flash point: 171.029°C (Cal.)
• Refractive index: 1.575 (Cal.)